Publicaciones en colaboración con investigadores/as de Instituto Catalán de Investigación Química (8)

2023

  1. Structure-based Design of Novel Hepatitis B Virus Capsid Assembly Modulators

    Bioorganic and Medicinal Chemistry Letters, Vol. 93

2021

  1. Assessing the Role of Site Isolation and Compartmentalization in Packed-Bed Flow Reactors for Processes Involving Wolf-and-Lamb Scenarios

    ACS Catalysis, Vol. 11, Núm. 10, pp. 6234-6242

2020

  1. Catalysis Meets Spintronics; Spin Potentials Associated with Open-Shell Orbital Configurations Enhance the Activity of Pt3Co Nanostructures for Oxygen Reduction: A Density Functional Theory Study

    ACS Applied Nano Materials, Vol. 3, Núm. 1, pp. 506-515

  2. Magnetism and Heterogeneous Catalysis: In Depth on the Quantum Spin-Exchange Interactions in Pt3M (M = V, Cr, Mn, Fe, Co, Ni, and Y)(111) Alloys

    ACS Applied Materials and Interfaces, Vol. 12, Núm. 45, pp. 50484-50494

  3. The trend of chemisorption of hydrogen and oxygen atoms on pure transition metals: Magnetism justifies unexpected behaviour of Mn and Cr

    Materials Today Communications, Vol. 23

2019

  1. Ferromagnetic ligand holes in cobalt perovskite electrocatalysts as an essential factor for high activity towards oxygen evolution

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 6, pp. 2977-2983

2018

  1. Synthesis meets theory: Past, present and future of rational chemistry

    Chemical Synergies: From the Lab to in Silico Modelling (De Gruyter), pp. 1-52

2017

  1. Synthesis meets theory: Past, present and future of rational chemistry

    Physical Sciences Reviews, Vol. 2, Núm. 12